TL;DR: 2-Saed (CAS 139609-20-4) is a chemical compound with molecular formula C21H20N5NaO10S3 and molecular weight 621.027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 1-[3-[2-[[2-(7-azido-4-methyl-2-oxochromen-3-yl)acetyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
Also Known As: 2-Saed, SAED, Sulfosuccinimidyl-2-(7-azido-4-methylcoumarin-3-acetamido)ethyl-1,3'-dithiopropionate, sodium;1-[3-[2-[[2-(7-azido-4-methyl-2-oxochromen-3-yl)acetyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate, Sulfosuccinimidyl-2-(7-azido-4-methylcoumarin-3-acetamido)-ethyl- 1,3'-dithiopropionate
| Molecular Formula | C21H20N5NaO10S3 |
| Molecular Weight | 621.027 g/mol |
| XLogP | -1.39168 |
| Topological Polar Surface Area (TPSA) | 250.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 621.027 Da |
| Heavy Atoms | 40 |
| Complexity | 1200.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)N=[N+]=[N-])CC(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+] |
| InChIKey | NDDXBASIVDLAME-UHFFFAOYSA-M |
The XLogP value of -1.39168 indicates that 2-Saed is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 250.0 Ų indicates high polarity, suggesting 2-Saed may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Saed has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Saed is 139609-20-4.
The molecular formula of 2-Saed is C21H20N5NaO10S3.
The molecular weight of 2-Saed is 621.027 g/mol.
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